quantum-espresso/Gamma
giannozz 3a98e2d9d4 More patches from Axel:
- correct an unquoted string (iosys) in PW/input.f90:483
(this was the cause of tonight compilation failere)
- correct a few incorrect format strings
- make more use of the constants module and thus
  provide more consistent units. NOTE, this has some
  numerical changes in the outputs, as in some places
  rather low precision and inconsistent numbers were
  used for unit conversion.
- convert all(?) single precision constants to double
  using the attached little perl program.
  exceptions: efermi.f90 (as it is supposed to be rewritten
  anyways), plotbands.f90 (it uses single precision everywhere,
  which may result in saving a significant amount of memory,
  so i converted the two double precision constants to single).
Unused routine 'set_fft_grid' removed


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3602 c92efa57-630b-4861-b058-cf58834340f0
2006-12-14 08:53:47 +00:00
..
Makefile Unused routine removed 2006-10-23 14:09:38 +00:00
a_h.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
cg_readin.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
cg_setup.f90 Old file format and related files deleted, makefiles updated accordingly 2006-03-23 11:00:52 +00:00
cg_setupdgc.f90 1) v_of_rho has been rearranged in order to reduce the number of FFTs per step. 2006-07-07 20:16:45 +00:00
cgcom.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
cgsolve.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
d2ion.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
dgcxc.f90 Modules/functionals.f90 modified. 2005-11-02 15:42:06 +00:00
dgcxc_spin.f90 Modules/functionals.f90 modified. 2005-11-02 15:42:06 +00:00
dgradcorr.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
dielec.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
drhodv.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
dvb_cc.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
dvpsi_e.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
dvpsi_kb.f90 More cleanup from Axel: 2006-12-02 17:58:50 +00:00
dyndiar.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
dynmat_init.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
dynmatcc.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
find_equiv_sites.f90 Manuale, dynmat.f90, copyright, misc 2003-01-28 12:28:11 +00:00
generate_dynamical_matrix.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
generate_effective_charges.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
h_h.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
macro.f90 Machine-dependent definitions are now contained in two different files (both in /include): 2004-06-25 17:25:37 +00:00
make.depend More patches from Axel: 2006-12-14 08:53:47 +00:00
phcg.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
pw_dot.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
rhod2vkb.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
solve_e.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
solve_ph.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
writedyn.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
zvscal.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00